Found 1 result

Search term: 63002593 (Found by CSID)
ChemSpider 2D Image | 19-methoxy-19,20-dihydrophomacin C | C26H41NO5

19-methoxy-19,20-dihydrophomacin C

  • Molecular FormulaC26H41NO5
  • Average mass447.607 Da
  • Monoisotopic mass447.298462 Da
  • ChemSpider ID63002593

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3S,3aR,4S,6aS,7E,10S,12S,13S,15aS)-12-Hydroxy-10-(hydroxymethyl)-3-isobutyl-13-methoxy-4,5,8-trimethyl-3,3a,4,6a,9,10,11,12,13,14-decahydro-1H-cycloundeca[d]isoindol-1,15(2H)-dion [German] [ACD/IUPAC Name]
(3S,3aR,4S,6aS,7E,10S,12S,13S,15aS)-12-Hydroxy-10-(hydroxymethyl)-3-isobutyl-13-methoxy-4,5,8-trimethyl-3,3a,4,6a,9,10,11,12,13,14-decahydro-1H-cycloundeca[d]isoindole-1,15(2H)-dione [ACD/IUPAC Name]
(3S,3aR,4S,6aS,7E,10S,12S,13S,15aS)-12-Hydroxy-10-(hydroxyméthyl)-3-isobutyl-13-méthoxy-4,5,8-triméthyl-3,3a,4,6a,9,10,11,12,13,14-décahydro-1H-cycloundéca[d]isoindole-1,15(2H)-dione [French] [ACD/IUPAC Name]
19-methoxy-19,20-dihydrophomacin C
1H-Cycloundec[d]isoindole-1,15(2H)-dione, 3,3a,4,6a,9,10,11,12,13,14-decahydro-12-hydroxy-10-(hydroxymethyl)-13-methoxy-4,5,8-trimethyl-3-(2-methylpropyl)-, (3S,3aR,4S,6aS,7E,10S,12S,13S,15aS)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 634.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.5±6.0 kJ/mol
Flash Point: 337.6±31.5 °C
Index of Refraction: 1.547
Molar Refractivity: 124.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 130.57
ACD/KOC (pH 5.5): 1137.97
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 130.57
ACD/KOC (pH 7.4): 1137.97
Polar Surface Area: 96 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 46.6±5.0 dyne/cm
Molar Volume: 391.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement